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5-METHYL-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-7-(4H)-ONE
SpectraBase Compound ID 7mfGjubsEus
InChI InChI=1S/C7H5F3N4O/c1-3-2-4(15)14-6(11-3)12-5(13-14)7(8,9)10/h2H,1H3,(H,11,12,13)
InChIKey RCFXSBDEUTWHMQ-UHFFFAOYSA-N
Mol Weight 218.14 g/mol
Molecular Formula C7H5F3N4O
Exact Mass 218.041545 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qBMCFlMEiY
Name 5-METHYL-2-(TRIFLUOROMETHYL)-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-7-(4H)-ONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5F3N4O
InChI InChI=1S/C7H5F3N4O/c1-3-2-4(15)14-6(11-3)12-5(13-14)7(8,9)10/h2H,1H3,(H,11,12,13)
InChIKey RCFXSBDEUTWHMQ-UHFFFAOYSA-N
Literature Reference Author N.BOECHAT,L.C.S.PINHEIRO,T.S.SILVA,A.C.C.AGUIAR,A.S.CARVALHO ,M.M.BASTOS,C.C.P.CO
Literature Reference Citation MOLECULES,17,8285(2012)
Literature Reference DOI 10.3390/molecules17078285
Solvent CD3OD
Source File Reference UWBT1067